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Details

Stereochemistry ACHIRAL
Molecular Formula C25H17F6N5O
Molecular Weight 517.4267
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NRC-AN-019

SMILES

Cc1ccc(cc1Nc2nccc(-c3cccnc3)n2)N=C(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)O

InChI

InChIKey=LCPGCGAJBOWMIP-UHFFFAOYSA-N
InChI=1S/C25H17F6N5O/c1-14-4-5-19(12-21(14)36-23-33-8-6-20(35-23)15-3-2-7-32-13-15)34-22(37)16-9-17(24(26,27)28)11-18(10-16)25(29,30)31/h2-13H,1H3,(H,34,37)(H,33,35,36)

HIDE SMILES / InChI

Molecular Formula C25H17F6N5O
Molecular Weight 517.4267
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

NRC-AN-019 has been found to be a promising new lead compound for the therapy of imatinib mesylate-resistant chronic myeloid leukemia. NRC-AN-019 showed considerable safety and response. In addition, it has the therapeutic potential in the treatment of Her-2-positive breast cancer.

Approval Year

PubMed

PubMed

TitleDatePubMed
Design, synthesis and preclinical evaluation of NRC-AN-019.
2013 Jan
Patents

Sample Use Guides

Dosing was initiated at 50 mg/day and dose escalation was done in increments of 50 mg per each additional cohort. The maximum dose administered was 450 mg/day. The protocol-specific study duration was 30 days; patients continued to receive the study drug subsequently based on Investigator’s decision
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Jun 26 09:06:55 UTC 2021
Edited
by admin
on Sat Jun 26 09:06:55 UTC 2021
Record UNII
K6W49JL148
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NRC-AN-019
Common Name English
(3,5-BIS TRIFLUOROMETHYL)-N-(4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2-YL AMINO) PHENYL)BENZAMIDE
Systematic Name English
3,5-BIS(TRIFLUOROMETHYL)-N-(4-METHYL-3-((4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)AMINO)PHENYL)BENZAMIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 336911
Created by admin on Sat Jun 26 09:06:55 UTC 2021 , Edited by admin on Sat Jun 26 09:06:55 UTC 2021
FDA ORPHAN DRUG 337011
Created by admin on Sat Jun 26 09:06:55 UTC 2021 , Edited by admin on Sat Jun 26 09:06:55 UTC 2021
FDA ORPHAN DRUG 336811
Created by admin on Sat Jun 26 09:06:55 UTC 2021 , Edited by admin on Sat Jun 26 09:06:55 UTC 2021
Code System Code Type Description
CAS
879507-25-2
Created by admin on Sat Jun 26 09:06:55 UTC 2021 , Edited by admin on Sat Jun 26 09:06:55 UTC 2021
PRIMARY
EPA CompTox
879507-25-2
Created by admin on Sat Jun 26 09:06:55 UTC 2021 , Edited by admin on Sat Jun 26 09:06:55 UTC 2021
PRIMARY
PUBCHEM
11562629
Created by admin on Sat Jun 26 09:06:55 UTC 2021 , Edited by admin on Sat Jun 26 09:06:55 UTC 2021
PRIMARY
FDA UNII
K6W49JL148
Created by admin on Sat Jun 26 09:06:55 UTC 2021 , Edited by admin on Sat Jun 26 09:06:55 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
NRC-AN-019 treatments were able to reduce leukemia symptoms significantly in both Baf3Wt and Baf3 (T315I) imatinib resistant leukemic mice.
TARGET -> INHIBITOR
D32p210 CELLS
IC50
Related Record Type Details
ACTIVE MOIETY